2-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzimidazole chloride

Systemtic Name: 2-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzimidazole chloride Openeye Name: 2-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzimidazole chloride CAS Name: 2-[(3-methyl-1-imidazol-3-iumyl)methyl]-1H-benzimidazole chloride IUPAC Name: 2-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzimidazole chloride Traditional Name: 2-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzimidazole chloride Formula: C12H13ClN4 MolecularWeight: 248.71142

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=NC3=CC=CC=C3N2.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=NC3=CC=CC=C3N2.[Cl-]

InChI

InChI=1S/C12H13N4.ClH/c1-15-6-7-16(9-15)8-12-13-10-4-2-3-5-11(10)14-12;/h2-7,9H,8H2,1H3,(H,13,14);1H/q+1;/p-1